N-(2,5-dimethoxy-4-methylsulfanyl-phenyl)-6-methoxy-7-(2-methoxyethoxy)quinazolin-4-amine

Systemtic Name: N-(2,5-dimethoxy-4-methylsulfanyl-phenyl)-6-methoxy-7-(2-methoxyethoxy)quinazolin-4-amine Openeye Name: N-(2,5-dimethoxy-4-methylsulfanyl-phenyl)-6-methoxy-7-(2-methoxyethoxy)quinazolin-4-amine CAS Name: N-[2,5-dimethoxy-4-(methylthio)phenyl]-6-methoxy-7-(2-methoxyethoxy)-4-quinazolinamine IUPAC Name: N-(2,5-dimethoxy-4-methylsulfanylphenyl)-6-methoxy-7-(2-methoxyethoxy)quinazolin-4-amine Traditional Name: [2,5-dimethoxy-4-(methylthio)phenyl]-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amine Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3OC)SC)OC)OC

Isomeric SMILES

COCCOC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3OC)SC)OC)OC

InChI

InChI=1S/C21H25N3O5S/c1-25-6-7-29-18-9-14-13(8-17(18)27-3)21(23-12-22-14)24-15-10-19(28-4)20(30-5)11-16(15)26-2/h8-12H,6-7H2,1-5H3,(H,22,23,24)